Taurodeoxycholic Acid

cas: 516-50-7 — see every product listed under this CAS number, including other names

Taurodeoxycholic Acid (CAS 516-50-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC575
cas516-50-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
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Taurodeoxycholic acid is a bile acid taurine conjugate of deoxycholic acid. It has a role as a human metabolite. It is functionally related to a deoxycholic acid. It is a conjugate acid of a taurodeoxycholate.

Source: ChEBI

Identity
Molecular formulaC26H45NO6S
Molecular weight499.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
InChIKeyAWDRATDZQPNJFN-VAYUFCLWSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: TAURODEOXYCHOLIC ACID, Deoxycholyltaurine, Tudcabil, Taurodesoxycholic acid, Acid, Taurodeoxycholic, N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-taurine, Deoxycholate, Taurine, TAURODEOXYCHLOIC ACID, TDCA, Deoxytaurocholic acid
Isomers (same molecular formula)
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO6S
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO6S
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO6S
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO6S

Also listed as

Taurodeoxycholic Acid MaxSpec® Standard GLPBio CAS 516-50-7
Taurodeoxycholic acid/ 99.22% (existing batch purity) TargetMol CAS 516-50-7
2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid, ≥98%, ≥98% Chemat CAS 516-50-7
Taurodeoxycholic acid, 98.0% MedChemExpress CAS 516-50-7
Taurodeoxycholic acid (Standard), 97.03% MedChemExpress CAS 516-50-7
Taurodeoxycholic-d4 Acid Chemat Brand CAS 516-50-7(non-labelled)